8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline

C58H38N4 — CID 155792569

IUPAC8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6cccc(-c7ccc8c(ccc9ccncc98)c7)c6)c5)cc4)n3)cc2)cc1
InChIInChI=1S/C58H38N4/c1-3-9-39(10-4-1)41-17-24-45(25-18-41)56-60-57(46-26-19-42(20-27-46)40-11-5-2-6-12-40)62-58(61-56)47-28-21-43(22-29-47)48-13-7-14-49(35-48)50-15-8-16-51(36-50)52-31-32-54-53(37-52)30-23-44-33-34-59-38-55(44)54/h1-38H
InChIKeyJYKRSBBNHJGMNL-UHFFFAOYSA-N
MW790.97 g/mol
LogP14.91
Rot. Bonds8

About 8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline

8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline (PubChem CID 155792569) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline.

Molecular Properties

Compound Name8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline
PubChem CID155792569
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6cccc(-c7ccc8c(ccc9ccncc98)c7)c6)c5)cc4)n3)cc2)cc1
InChIInChI=1S/C58H38N4/c1-3-9-39(10-4-1)41-17-24-45(25-18-41)56-60-57(46-26-19-42(20-27-46)40-11-5-2-6-12-40)62-58(61-56)47-28-21-43(22-29-47)48-13-7-14-49(35-48)50-15-8-16-51(36-50)52-31-32-54-53(37-52)30-23-44-33-34-59-38-55(44)54/h1-38H
InChIKeyJYKRSBBNHJGMNL-UHFFFAOYSA-N
XLogP14.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline
CID 155792731
8-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[h]isoquinoline
CID 149110952
8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline
CID 147512897
2-phenanthren-2-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598227
2-phenanthren-2-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 171598299
8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline;3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine;2-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 160832506
7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline
CID 174288450
8-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline;6-[4-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenanthridine
CID 159086345
2-(3-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 122416272
2-anthracen-2-yl-4-phenanthren-2-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598343
2-phenanthren-2-yl-4-phenanthren-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598294
2-(4-benzo[a]anthracen-7-ylphenyl)-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130265141

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline?
The IUPAC name of 8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline (CID 155792569) is 8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline.
What is the SMILES notation for 8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline?
The canonical SMILES for 8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6cccc(-c7ccc8c(ccc9ccncc98)c7)c6)c5)cc4)n3)cc2)cc1.
What is the InChIKey of 8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline?
The InChIKey is JYKRSBBNHJGMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-3-9-39(10-4-1)41-17-24-45(25-18-41)56-60-57(46-26-19-42(20-27-46)40-11-5-2-6-12-40)62-58(61-56)47-28-21-43(22-29-47)48-13-7-14-49(35-48)50-15-8-16-51(36-50)52-31-32-54-53(37-52)30-23-44-33-34-59-38-55(44)54/h1-38H.
What are the key properties of 8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline?
8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline has a molecular weight of 790.97 g/mol, XLogP of 14.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline is sourced from PubChem (CID 155792569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).